SCHEMBL1991927

SCHEMBL1991927

CNC(=O)[C@@H]1CNCCN1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.34
PRCP P42785 2/20 0.33
GBA1 P04062 1/20 0.33
SLC6A2 P23975 2/20 0.32
DPP4 P27487 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1993835 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2415851 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2916532 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Acrylamide SCHEMBL28298600 0.87 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7377152 0.85 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL16856366 0.82
SCHEMBL2915344 0.82 PRCP (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5892835 0.81 HDAC8 (0.32) CHRNB2CHRNA4CHRNA7PRCP
SCHEMBL19996549 0.80 PRCP (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL3652033 0.80 L3MBTL1 (0.50) CHRNB2CHRNA4CHRNA7L3MBTL1PRCP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
EP-2513096-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-A MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
WO-2011075565-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-Aα MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CHRNB2 3434/4885CHRNA4 3641/4885CHRNA7 3904/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CHRNB2 3434/4885CHRNA4 3641/4885CHRNA7 3904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.